TDR Targets

Basic information

Technical information

TDR Targets ID: 1456311
Name: N-(3,4-dimethylphenyl)-N-ethyl-4-methyl-2,6-d ioxo-3H-pyrimidine-5-sulfonamide
MW: 337.394 | Formula: C15H19N3O4S
H donors: 2 H acceptors: 6 LogP: 2.91 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCN(S(=O)(=O)c1c(C)nc(nc1O)O)c1ccc(c(c1)C)C
InChi: 1S/C15H19N3O4S/c1-5-18(12-7-6-9(2)10(3)8-12)23(21,22)13-11(4)16-15(20)17-14(13)19/h6-8H,5H2,1-4H3,(H2,16,17,19,20)
InChiKey: ZEKIFMBMFZAETF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-(3,4-dimethylphenyl)-N-ethyl-2,4-diketo-6-methyl-1H-pyrimidine-5-sulfonamide
MLS000521675
SMR000132083

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0052	0.0052
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0091	0.0091
Schistosoma mansoni	tar DNA-binding protein	0.0199	0.4127	0.6093
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0929	0.1311
Echinococcus multilocularis	GPCR, family 2	0.0146	0.2958	0.7131
Loa Loa (eye worm)	MH2 domain-containing protein	0.0024	0.0244	0.0244
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0091	0.0097
Brugia malayi	MH1 domain containing protein	0.0024	0.0244	0.0244
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0929	0.1311
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0091	0.0097
Brugia malayi	Latrophilin receptor protein 2	0.0146	0.2958	0.2958
Schistosoma mansoni	dishevelled	0.0018	0.0091	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0359	0.7684	0.7684
Brugia malayi	TAR-binding protein	0.0199	0.4127	0.4127
Echinococcus multilocularis	smad	0.0024	0.0244	0.0471
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0091	0.0059
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0462	1	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0091	0.0059
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0462	1	1
Toxoplasma gondii	hypothetical protein	0.0018	0.0091	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0359	0.7704	0.7704
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0052	0.0052
Schistosoma mansoni	dep domain containing protein	0.0018	0.0091	0.0059
Schistosoma mansoni	Smad4	0.0024	0.0244	0.0287
Brugia malayi	RNA recognition motif domain containing protein	0.0199	0.4127	0.4127
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0052	0.5
Schistosoma mansoni	hypothetical protein	0.0146	0.2958	0.4345
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0091	0.0097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0359	0.7704	0.7704
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0929	0.2152
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0091	0.0059
Echinococcus granulosus	mothers against decapentaplegic 5	0.0024	0.0244	0.0471
Schistosoma mansoni	tar DNA-binding protein	0.0199	0.4127	0.6093
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0052	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0091	0.0097
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0146	0.2958	0.7131
Loa Loa (eye worm)	hypothetical protein	0.0462	1	1
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0244	0.0287
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0091	0.0097
Schistosoma mansoni	hypothetical protein	0.0146	0.2958	0.4345
Brugia malayi	RNA binding protein	0.0199	0.4127	0.4127
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0146	0.2958	0.7131
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2958	0.2958
Loa Loa (eye worm)	RNA binding protein	0.0199	0.4127	0.4127
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0929	0.0929
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0052	0.0052
Brugia malayi	latrophilin 2 splice variant baaae	0.0316	0.674	0.674
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0091	0.0097
Echinococcus multilocularis	Smad4	0.0024	0.0244	0.0471
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0091	0.0097
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0024	0.0244	0.0471
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0052	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0199	0.4127	0.6093
Loa Loa (eye worm)	TAR-binding protein	0.0199	0.4127	0.4127
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0929	0.2152
Schistosoma mansoni	smad	0.0024	0.0244	0.0287
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0024	0.0244	0.0287
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0024	0.0244	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0316	0.674	0.674
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0244	0.0287
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0024	0.0244	0.0471
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0929	0.0929
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0244	0.0287
Brugia malayi	Smad1	0.0024	0.0244	0.0244
Schistosoma mansoni	hypothetical protein	0.0316	0.674	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0146	0.2958	0.7131
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0146	0.2958	0.2958
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0052	0.5
Echinococcus granulosus	tar DNA binding protein	0.0199	0.4127	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0091	0.0097
Schistosoma mansoni	hypothetical protein	0.0146	0.2958	0.4345
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0091	0.0097
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0091	0.0091
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0052	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0146	0.2958	0.7131
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0091	0.0091
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0359	0.7684	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0091	0.0091
Schistosoma mansoni	tar DNA-binding protein	0.0199	0.4127	0.6093
Brugia malayi	MH2 domain containing protein	0.0359	0.7704	0.7704
Loa Loa (eye worm)	MH1 domain-containing protein	0.0024	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0091
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0199	0.4127	0.4127
Echinococcus granulosus	GPCR family 2	0.0146	0.2958	0.7131
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0091	0.0097
Brugia malayi	DIX domain containing protein	0.0018	0.0091	0.0091
Echinococcus granulosus	Smad4	0.0024	0.0244	0.0471
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0146	0.2958	0.2958
Brugia malayi	MH2 domain containing protein	0.0024	0.0244	0.0244
Brugia malayi	MH2 domain containing protein	0.0024	0.0244	0.0244
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0052	0.5
Loa Loa (eye worm)	Smad1	0.0024	0.0244	0.0244
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0929	0.2152
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0091	0.0091
Echinococcus granulosus	smad	0.0024	0.0244	0.0471
Echinococcus multilocularis	tar DNA binding protein	0.0199	0.4127	1
Schistosoma mansoni	tar DNA-binding protein	0.0199	0.4127	0.6093
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0052	0.5
Brugia malayi	hypothetical protein	0.0018	0.0091	0.0091
Brugia malayi	MH1 domain containing protein	0.0024	0.0244	0.0244
Schistosoma mansoni	hypothetical protein	0.0146	0.2958	0.4345
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0052	0.5
Schistosoma mansoni	dishevelled	0.0018	0.0091	0.0059
Brugia malayi	N-terminal motif family protein	0.0359	0.7684	0.7684
Brugia malayi	hypothetical protein	0.0018	0.0091	0.0091
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0929	0.2152
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0929	0.1311

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1417453

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1456311